N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C14H23N5 — CID 175661679

IUPACN-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN(C)C2)nc2c1CNCC2
InChIInChI=1S/C14H23N5/c1-15-14-11-8-16-6-5-12(11)17-13(18-14)10-4-3-7-19(2)9-10/h10,16H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyAJTOWQZOBZFOHI-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.97
Rot. Bonds2

About N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 175661679) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID175661679
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN(C)C2)nc2c1CNCC2
InChIInChI=1S/C14H23N5/c1-15-14-11-8-16-6-5-12(11)17-13(18-14)10-4-3-7-19(2)9-10/h10,16H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyAJTOWQZOBZFOHI-UHFFFAOYSA-N
XLogP0.97
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 175661679) is N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CNc1nc(C2CCCN(C)C2)nc2c1CNCC2.
What is the InChIKey of N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is AJTOWQZOBZFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-15-14-11-8-16-6-5-12(11)17-13(18-14)10-4-3-7-19(2)9-10/h10,16H,3-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175661679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).